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dyzhengdyzheng
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Fix: nscf calculation stuck with nspin=2 and LCAO (#3570)
Co-authored-by: dyzheng <zhengdy@bjaisi.com>
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source/module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.h

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@@ -89,7 +89,7 @@ class HamiltLCAO : public Hamilt<TK>
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// special case for NSPIN=2 , data of HR should be separated into two parts
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// save them in this->hRS2;
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std::vector<TR> hRS2;
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int refresh_times = 0;
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int refresh_times = 1;
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// sk and hk will be refactored to HamiltLCAO later
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//std::vector<TK> sk;

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